RefMet Compound Details
MW structure | 37587 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Octanoyl-CoA | |
Alternative name | CoA 8:0 | |
Systematic name | {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | |
SMILES | CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | CoA 8:0 | View other entries in RefMet with this sum composition |
Exact mass | 893.219684 (neutral) |
Table of KEGG reactions in human pathways involving Octanoyl-CoA
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R03776 | Octanoyl-CoA + NADP+ <=> trans-Oct-2-enoyl-CoA + NADPH + H+ | trans-Oct-2-enoyl-CoA reductase |
R03777 | Octanoyl-CoA + FAD <=> trans-Oct-2-enoyl-CoA + FADH2 | octanoyl-CoA:electron-transfer flavoprotein 2-oxidoreductase |
R03778 | Octanoyl-CoA + Acetyl-CoA <=> CoA + 3-Oxodecanoyl-CoA | Octanoyl-CoA:acetyl-CoA C-acyltransferase |
Table of KEGG human pathways containing Octanoyl-CoA
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa01212 | Fatty acid metabolism | 3 |
hsa00062 | Fatty acid elongation | 2 |
hsa00071 | Fatty acid degradation | 2 |